Geometry & MOs

Info

ID:	406912
PubChem CID:	135078909
Reduced:	OC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	262.19328
ΔH_f, kcal/mol:	-14.45
Dipole, Da:	2.4
IP(EA), eV:	-9.16(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethenyl-3-methoxybenzene;octanal

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@]23CCCC[C@H]2O3

DOS

IR

Vibrations